4-Propoxybenzaldehyde

C₁₀H₁₂O₂CAS 5736-85-6164.20 g/mol

Open in Covalent MOL file

Aldehyde Ether

Properties

Molecular formula: C₁₀H₁₂O₂
Molar mass: 164.20 g/mol
Exact mass: 164.0837 Da
Melting point: 268 °C
Boiling point: 129–130 °C (at 10 Torr)
logP: 2.29Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin89.1% of notifiers
H315 Causes skin irritation95.7% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H332 Harmful if inhaled89.1% of notifiers
H335 May cause respiratory irritation87% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5736-85-6

SMILES

CCCOc1ccc(C=O)cc1

InChIKey

FGXZWMCBNMMYPL-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,8H,2,7H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

Benzaldehyde, 4-propoxy-
Benzaldehyde, p-propoxy-
p-Propoxybenzaldehyde
1,4-Propoxybenzaldehyde
NSC 32509
NSC 406729
p-n-Propoxybenzaldehyde
4-Propyloxybenzaldehyde

Work with 4-Propoxybenzaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Butoxybenzaldehyde5736-88-980 % similar 4-(Pentyloxy)benzaldehyde5736-91-477 % similar 4-(Octyloxy)benzaldehyde24083-13-475 % similar 4-(Decyloxy)benzaldehyde24083-16-775 % similar p-Dodecyloxybenzaldehyde24083-19-075 % similar 4-(Heptyloxy)benzaldehyde27893-41-075 % similar 4-N-Nonyloxybenzaldehyde50262-46-975 % similar 4-(Hexyloxy)benzaldehyde5736-94-775 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook